1-(4-butan-2-ylphenyl)-3-(2-chloranylpyridin-3-yl)thiourea

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-(2-chloranylpyridin-3-yl)thiourea Openeye Name: 1-(2-chloro-3-pyridyl)-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-(2-chloro-3-pyridinyl)thiourea IUPAC Name: 1-(4-butan-2-ylphenyl)-3-(2-chloropyridin-3-yl)thiourea Traditional Name: 1-(2-chloro-3-pyridyl)-3-(4-sec-butylphenyl)thiourea Formula: C16H18ClN3S MolecularWeight: 319.85222

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=C(N=CC=C2)Cl

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=C(N=CC=C2)Cl

InChI

InChI=1S/C16H18ClN3S/c1-3-11(2)12-6-8-13(9-7-12)19-16(21)20-14-5-4-10-18-15(14)17/h4-11H,3H2,1-2H3,(H2,19,20,21)